2-嘧啶甲酰胺,1,6-二氢-4-甲基-6-羰基- | 98140-99-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-嘧啶甲酰胺,1,6-二氢-4-甲基-6-羰基-
• 中文别名: 4-羟基-6-甲基-2-嘧啶甲酰胺
• 英文名称: 4-methyl-6-oxo-1,6-dihydro-pyrimidine-2-carboxylic acid amide
• 英文别名: 4-Methyl-6-oxo-1,6-dihydro-pyrimidin-2-carbonsaeure-amid；4-Hydroxy-6-methylpyrimidine-2-carboxamide；4-methyl-6-oxo-1H-pyrimidine-2-carboxamide
• CAS: 98140-99-9
• 化学式: C₆H₇N₃O₂
• 分子量: 153.14
• InChiKey: DVZSAOHUXHGMJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  84.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-嘧啶甲酰胺,1,6-二氢-4-甲基-6-羰基- 在 甲醇 、 三氯氧磷 作用下， 生成 2,4-二甲氧基-6-甲基嘧啶
  参考文献：
  名称：

  Yamanaka, Chemical and pharmaceutical bulletin, 1959, vol. 7, p. 505,508

  摘要：

  DOI：
• 作为产物：
  描述：

  4-benzyloxy-6-methyl-pyrimidine-2-carboxylic acid amide 在 甲醇 、 palladium on activated charcoal 作用下， 生成 2-嘧啶甲酰胺,1,6-二氢-4-甲基-6-羰基-
  参考文献：
  名称：

  Yamanaka, Chemical and pharmaceutical bulletin, 1959, vol. 7, p. 158,160

  摘要：

  DOI：

文献信息

• Novel heterocyclic NF-kB inhibitors
  申请人：Leban Johann

  公开号：US20060069102A1

  公开（公告）日：2006-03-30

  The present invention relates to compounds of the general formula (1) and salts and physiologically functional derivatives thereof, wherein R 1 is independently hydrogen; alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl or substituted arylalkyl; R 2 is independently —NR 3 R 4 , R 3 is independently alkyl, cycloalkyl, alkoxy, alkylamine, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl, R 4 is independently alkyl, cycloalkyl, alkoxy, alkylamine, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 5 is independently H, COR 6 , CO 2 R 6 , SOR 6 , SO 3 R 6 , alkyl, cycloalkyl, alkoxy, —NH 2 , alkylamine, —NR 7 COR 6 , halogen, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 6 is independently H, alkyl, cycloalkyl, —NH 2 , alkylamine, aryl or heteroaryl; R 7 is independently H, alkyl, cycloalkyl, alkoxy, —OH, —SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, or SO 2 .

  本发明涉及一般式（1）的化合物及其盐和生理功能衍生物，其中R1独立地为氢；烷基，环烷基，羟基烷基，卤代烷基，卤代烷氧基，芳基，取代芳基，杂芳基，取代杂芳基，芳基烷基或取代芳基烷基；R2独立地为—NR3R4，R3独立地为烷基，环烷基，烷氧基，烷基胺，—OH，—SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂芳基，R4独立地为烷基，环烷基，烷氧基，烷基胺，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂芳基；R5独立地为H，COR6，CO2R6，SOR6，SO3R6，烷基，环烷基，烷氧基，—NH2，烷基胺，—NR7COR6，卤素，—OH，—SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂芳基；R6独立地为H，烷基，环烷基，—NH2，烷基胺，芳基或杂芳基；R7独立地为H，烷基，环烷基，烷氧基，—OH，—SH，烷硫基，羟基烷基，芳基或杂芳基；p为0或1；q为0或1；X为CO或SO2。
• Novel Heterocyclic Nf-Kb Inhibitors
  申请人：Leban Johann

  公开号：US20080261971A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof, (I) wherein R 1 is independently hydrogen, alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl or substituted arylalkyl; R 2 is independently —NR 3 R 4 , (II) or (III) R 3 is independently alkyl, cycloalkyl, alkoxy, alkylamine, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl, R 4 is independently alkyl, cycloalkyl, alkoxy, alkylamine, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 5 is independently H, COR 6 , CO 2 R 6 , SOR 6 , SO 2 R 6 , SO 3 R 6 , alkyl, cycloalkyl, alkoxy, —NH 2 , alkylamine, —NR 7 COR 6 , halogen, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 6 is independently H, alkyl, cycloalkyl, —NH 2 , alkylamine, aryl or heteroaryl; R 7 is independently H, alkyl, cycloalkyl, alkoxy, —OH, —SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, or SO 2 .

  本发明涉及一般式(I)的化合物及其盐和生理功能衍生物，其中R1独立地为氢、烷基、环烷基、羟基烷基、卤代烷基、卤代烷氧基、芳基、取代芳基、杂环芳基、取代杂环芳基、芳基烷基或取代芳基烷基；R2独立地为—NR3R4、(II)或(III)，其中R3独立地为烷基、环烷基、烷氧基、烷基胺、—OH、—SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基，R4独立地为烷基、环烷基、烷氧基、烷基胺、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基；R5独立地为H、COR6、CO2R6、SOR6、SO2R6、SO3R6、烷基、环烷基、烷氧基、—NH2、烷基胺、—NR7COR6、卤素、—OH、—SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基；R6独立地为H、烷基、环烷基、—NH2、烷基胺、芳基或杂环芳基；R7独立地为H、烷基、环烷基、烷氧基、—OH、—SH、烷硫基、羟基烷基、芳基或杂环芳基；p为0或1；q为0或1；X为CO或SO2。
• Novel Heterocyclic NF-kB Inhibitors
  申请人：LEBAN Johann

  公开号：US20100048583A1

  公开（公告）日：2010-02-25

  The present invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof, wherein R 1 is independently hydrogen, alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl or substituted arylalkyl; R 2 is independently —NR 3 R 4 , R 3 is independently alkyl, cycloalkyl, alkoxy, alkylamine, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl, R 4 is independently alkyl, cycloalkyl, alkoxy, alkylamine, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 5 is independently H, COR 6 , CO 2 R 6 , SOR 6 , SO 2 R 6 , SO 3 R 6 , alkyl, cycloalkyl, alkoxy, —NH 2 , alkylamine, —NR 7 COR 6 , halogen, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 6 is independently H, alkyl, cycloalkyl, —NH 2 , alkylamine, aryl or heteroaryl; R 7 is independently H, alkyl, cycloalkyl, alkoxy, —OH, —SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, or SO 2 .

  本发明涉及一般式(I)的化合物、盐和生理学功能衍生物，其中R1独立地为氢、烷基、环烷基、羟基烷基、卤代烷基、卤代烷氧基、芳基、取代芳基、杂芳基、取代杂芳基、芳基烷基或取代芳基烷基；R2独立地为—NR3R4，R3独立地为烷基、环烷基、烷氧基、烷基胺、—OH、—SH、烷基硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基，R4独立地为烷基、环烷基、烷氧基、烷基胺、烷基硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基；R5独立地为H、COR6、CO2R6、SOR6、SO2R6、SO3R6、烷基、环烷基、烷氧基、—NH2、烷基胺、—NR7COR6、卤素、—OH、—SH、烷基硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基；R6独立地为H、烷基、环烷基、—NH2、烷基胺、芳基或杂芳基；R7独立地为H、烷基、环烷基、烷氧基、—OH、—SH、烷基硫基、羟基烷基、芳基或杂芳基；p为0或1；q为0或1；X为CO或SO2。
• US7812041B2
  申请人：——

  公开号：US7812041B2

  公开（公告）日：2010-10-12